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BDBM32659 m-chlorobenzylamide, 8

SMILES: CC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1

InChI Key: InChIKey=NEBILTDHZWSWJN-VQCQRNETSA-N

Data: 1 KI  3 ITC

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 32659   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prothrombin


(Homo sapiens (Human))
BDBM32659
PNG
(m-chlorobenzylamide, 8)
Show SMILES CC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCCC1C(=O)NCc1cccc(Cl)c1
Show InChI InChI=1S/C23H32ClN3O3/c1-16(28)26-20(14-17-7-3-2-4-8-17)23(30)27-12-6-11-21(27)22(29)25-15-18-9-5-10-19(24)13-18/h5,9-10,13,17,20-21H,2-4,6-8,11-12,14-15H2,1H3,(H,25,29)(H,26,28)/t20-,21?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.70E+3 -6.90n/an/an/an/an/a7.425



Philipps-University Marburg



Assay Description
Kinetic inhibition of human thrombin was determined photometrically at 405 nm using the chromogenic substrate Pefachrom tPa. Reactions were performed...


J Mol Biol 391: 552-64 (2009)

More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 3 hits for monomerid = 32659
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Thrombin

(Homo sapiens (Human))
BDBM32659
JPEG
(m-chlorobenzylamide, 8)
GoogleScholar
PDB
PC cid
PC sid
-7.79-0.862-6.93n/a7.8025



Philipps-University Marburg





J Mol Biol 391: 552-64 (2009)

Thrombin

(Homo sapiens (Human))
BDBM32659
JPEG
(m-chlorobenzylamide, 8)
GoogleScholar
PDB
PC cid
PC sid
-7.91-3.72-4.16n/a7.8025



Philipps-University Marburg





J Mol Biol 391: 552-64 (2009)

Thrombin

(Homo sapiens (Human))
BDBM32659
JPEG
(m-chlorobenzylamide, 8)
GoogleScholar
PDB
PC cid
PC sid
-7.83-4.42-3.42n/a7.8025



Philipps-University Marburg





J Mol Biol 391: 552-64 (2009)